1-[2-azanyl-3-(1H-indol-3-yl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[2-azanyl-3-(1H-indol-3-yl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[2-amino-3-(1H-indol-3-yl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[2-amino-3-(1H-indol-3-yl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[2-amino-3-(1H-indol-3-yl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)C(=O)C(CC3=CNC4=CC=CC=C43)N)C(=O)O

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)C(=O)C(CC3=CNC4=CC=CC=C43)N)C(=O)O

InChI

InChI=1S/C21H21N3O3/c22-16(9-13-11-23-17-8-4-3-6-14(13)17)20(25)19-15-7-2-1-5-12(15)10-18(24-19)21(26)27/h1-8,11,16,18-19,23-24H,9-10,22H2,(H,26,27)